Basic information
- CAS
7403-58-9- Standard SMILES
C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)OCC)C(CCC(=O)OCC)=C4C)c(C)c3C=C- InChIKey
FEOWTYCTNRBSSR-UHFFFAOYSA-N- Molecular formula
- C38H42N4O4
- Average molar mass
- 618.8 g/mol
- Monoisotopic mass
- 618.32060583
Names & identifiers
- Preferred name
- Ethyl 3-[8,13-bis(ethenyl)-18-(3-ethoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
- IUPAC
- ethyl 3-[8,13-bis(ethenyl)-18-(3-ethoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
Names & synonyms
NSC260337403-58-9SCHEMBL5051054DTXSID60328419NSC-26033Diethyl 3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate
Database identifiers
- CAS
7403-58-9- PubChem CID
- 410049
- DTXSID
DTXSID60328419- Nikkaji
- J1.956.576I、J3.725.152F
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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